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DocumentationIdentifier: MM243050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243050 |
| SMILES |
CCC(C)(CNC)OC=O
|
| InChIKey |
UNTDYIVZNZBGOA-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64970
Similarity: 0.7422
Similarity to MM64970
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.852 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67583
Similarity: 0.6953
Similarity to MM67583
| Tanimoto metric | 0.6953 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70770
Similarity: 0.6563
Similarity to MM70770
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.8101 |
| Dice metric | 0.7925 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
